4-[(2R)-but-3-yn-2-yl]morpholine

C8H13NO — CID 129322300

IUPAC4-[(2R)-but-3-yn-2-yl]morpholine
SMILESC#C[C@@H](C)N1CCOCC1
InChIInChI=1S/C8H13NO/c1-3-8(2)9-4-6-10-7-5-9/h1,8H,4-7H2,2H3/t8-/m1/s1
InChIKeyIPPZQTPGJZCMMK-MRVPVSSYSA-N
MW139.20 g/mol
LogP0.34
Rot. Bonds1

About 4-[(2R)-but-3-yn-2-yl]morpholine

4-[(2R)-but-3-yn-2-yl]morpholine (PubChem CID 129322300) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-[(2R)-but-3-yn-2-yl]morpholine.

Molecular Properties

Compound Name4-[(2R)-but-3-yn-2-yl]morpholine
PubChem CID129322300
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-[(2R)-but-3-yn-2-yl]morpholine
SMILESC#C[C@@H](C)N1CCOCC1
InChIInChI=1S/C8H13NO/c1-3-8(2)9-4-6-10-7-5-9/h1,8H,4-7H2,2H3/t8-/m1/s1
InChIKeyIPPZQTPGJZCMMK-MRVPVSSYSA-N
XLogP0.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

fluoromethane;4-propan-2-ylmorpholine
CID 177187231
N,N'-bis(1-morpholin-4-ylethyl)methanediimine
CID 139674552
silver 1-morpholin-4-ylethanethiol
CID 19374206
1-methylpiperidine;4-propan-2-ylmorpholine
CID 176969911
(2R)-3-methyl-2-morpholin-4-ylbutanenitrile
CID 92787269
1,1-dimorpholin-4-ylpropan-2-ol
CID 141196639
methyl hydrogen sulfate;2-morpholin-4-ylpropanenitrile
CID 87840801
3,4-dimethyl-2-morpholin-4-ylpentanenitrile
CID 130735318
4-(1-isoselenocyanatoethyl)morpholine
CID 162436496
1-but-3-yn-2-ylazetidin-3-one
CID 91622712
4-[3-(4-methylpiperazin-1-yl)butan-2-yl]morpholine
CID 167278501
4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine
CID 90180655

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-but-3-yn-2-yl]morpholine?
The IUPAC name of 4-[(2R)-but-3-yn-2-yl]morpholine (CID 129322300) is 4-[(2R)-but-3-yn-2-yl]morpholine.
What is the SMILES notation for 4-[(2R)-but-3-yn-2-yl]morpholine?
The canonical SMILES for 4-[(2R)-but-3-yn-2-yl]morpholine is C#C[C@@H](C)N1CCOCC1.
What is the InChIKey of 4-[(2R)-but-3-yn-2-yl]morpholine?
The InChIKey is IPPZQTPGJZCMMK-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-8(2)9-4-6-10-7-5-9/h1,8H,4-7H2,2H3/t8-/m1/s1.
What are the key properties of 4-[(2R)-but-3-yn-2-yl]morpholine?
4-[(2R)-but-3-yn-2-yl]morpholine has a molecular weight of 139.20 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-but-3-yn-2-yl]morpholine is sourced from PubChem (CID 129322300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).